Information card for entry 7720818

Structure parameters

• Formula: C21 H28.67 Br F12 Mn N4 O3.33 P2
• Calculated formula: C21 H28 Br F12 Mn N4 O3.3333 P2
• Title of publication: Pendant-cation assisted spontaneous axial halide substitution in group 7 M(L)(CO)₃X complexes.
• Authors of publication: Kramer, Wesley W.; Sheridan, Thomas R.; Pérez-Vázquez, Jorge; Boivin, Christophe A.; Browne, Amanda M.; Logan, Catherine G.; Sanders, Brian C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 5197 - 5209
• a: 18.0875 ± 0.0014 Å
• b: 13.3416 ± 0.0011 Å
• c: 12.7322 ± 0.0009 Å
• α: 90°
• β: 94.982 ± 0.005°
• γ: 90°
• Cell volume: 3060.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No